# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _cell_length_a 3.82 _cell_length_b 6.521 _cell_length_c 13.571 _cell_angle_alpha 93.33 _cell_angle_beta 87.07 _cell_angle_gamma 94.99 _space_group_name_H-M_alt 'P 1' _space_group_name_Hall 'P 1' loop_ _symmetry_equiv_pos_as_xyz x,y,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O1 O 0.60052 0.66147 0.10552 1.000 N2 N 0.85128 0.69162 0.94732 1.000 C3 C 0.76514 0.76592 0.04263 1.000 C4 C 0.02513 0.84479 0.88902 1.000 C5 C 0.07600 0.01890 0.95060 1.000 C6 C 0.14819 0.80087 0.78971 1.000 C7 C 0.09884 0.60078 0.74478 1.000 C8 C 0.20688 0.56671 0.64577 1.000 C9 C 0.34508 0.72999 0.58850 1.000 C10 C 0.39504 0.92442 0.63454 1.000 C11 C 0.28974 0.96484 0.73289 1.000 H12 H 0.76308 0.56790 0.92131 1.000 H13 H 0.99329 0.48514 0.78409 1.000 H14 H 0.17733 0.42449 0.61459 1.000 H15 H 0.50087 0.03991 0.59508 1.000 H16 H 0.40905 0.70666 0.52046 1.000 H17 H 0.31581 0.10132 0.76165 1.000 O18 O 0.39948 0.33853 0.89448 1.000 N19 N 0.14872 0.30838 0.05268 1.000 C20 C 0.23486 0.23408 0.95737 1.000 C21 C 0.97487 0.15521 0.11098 1.000 C22 C 0.92400 0.98110 0.04940 1.000 C23 C 0.85181 0.19913 0.21029 1.000 C24 C 0.90116 0.39922 0.25522 1.000 C25 C 0.79312 0.43329 0.35423 1.000 C26 C 0.65492 0.27001 0.41150 1.000 C27 C 0.60496 0.07558 0.36546 1.000 C28 C 0.71026 0.03516 0.26711 1.000 H29 H 0.23692 0.43210 0.07869 1.000 H30 H 0.00671 0.51486 0.21591 1.000 H31 H 0.82267 0.57551 0.38541 1.000 H32 H 0.49913 0.96009 0.40492 1.000 H33 H 0.59095 0.29334 0.47954 1.000 H34 H 0.68419 0.89868 0.23835 1.000